[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-ethanoyl]amino]-7-methanethioyl-8-oxidanylidene-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate

Systemtic Name: [7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-ynoxyimino-ethanoyl]amino]-7-methanethioyl-8-oxidanylidene-3-[(2Z)-2-(3-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Openeye Name: [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-prop-2-ynoxyimino-acetyl]amino]-3-[(2Z)-2-(3-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate CAS Name: carbonic acid [7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-ynoxyiminoethyl]amino]-3-[(2Z)-2-(3-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester IUPAC Name: [7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-ynoxyiminoacetyl]amino]-3-[(2Z)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[[(2E)-2-(2-aminothiazol-4-yl)-2-propargyloximino-acetyl]amino]-3-[(2Z)-2-(3-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl] ester Formula: C24H17N7O9S3 MolecularWeight: 643.62828

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Descriptors Computed from Structure

Canonical SMILES:

C#CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NNC(=C5C=CC(=O)C(=C5)O)O4)OC(=O)O)C=S

Isomeric SMILES

C#CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NN/C(=C/5\C=CC(=O)C(=C5)O)/O4)OC(=O)O)C=S

InChI

InChI=1S/C24H17N7O9S3/c1-2-5-38-30-15(12-8-43-22(25)26-12)16(34)27-24(9-41)20(35)31-19(40-23(36)37)11(7-42-21(24)31)18-29-28-17(39-18)10-3-4-13(32)14(33)6-10/h1,3-4,6,8-9,21,28,33H,5,7H2,(H2,25,26)(H,27,34)(H,36,37)/b17-10-,30-15+